N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide

C17H22FNO3 — CID 159106921

IUPACN-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
SMILESO=C(CCC(=O)NC1CCCCC1)COc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c18-13-6-9-16(10-7-13)22-12-15(20)8-11-17(21)19-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12H2,(H,19,21)
InChIKeyKDZQRYZHMDDGBV-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.00
Rot. Bonds7

About N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide

N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide (PubChem CID 159106921) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
PubChem CID159106921
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC NameN-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
SMILESO=C(CCC(=O)NC1CCCCC1)COc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c18-13-6-9-16(10-7-13)22-12-15(20)8-11-17(21)19-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12H2,(H,19,21)
InChIKeyKDZQRYZHMDDGBV-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7791687
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N-cyclohexyl-2-(4-iodophenoxy)acetamide
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N-cyclododecyl-2-(4-methylphenoxy)acetamide
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N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
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N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide?
The IUPAC name of N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide (CID 159106921) is N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide.
What is the SMILES notation for N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide?
The canonical SMILES for N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide is O=C(CCC(=O)NC1CCCCC1)COc1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide?
The InChIKey is KDZQRYZHMDDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-13-6-9-16(10-7-13)22-12-15(20)8-11-17(21)19-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12H2,(H,19,21).
What are the key properties of N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide?
N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide has a molecular weight of 307.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide is sourced from PubChem (CID 159106921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).